Product Name

  • Name

    2-METHYL-6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONYL CHLORIDE

  • EINECS
  • CAS No. 261635-98-7
  • Article Data7
  • CAS DataBase
  • Density 1.407 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H5ClF3NO
  • Boiling Point 224.094 °C at 760 mmHg
  • Molecular Weight 223.582
  • Flash Point 89.329 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 261635-98-7 (2-METHYL-6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONYL CHLORIDE)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Methyl-6-(trifluoromethyl)pyridine-3-carbonylchloride;2-Methyl-6-trifluoromethylnicotinoyl chloride;6-(Trifluoromethyl)-2-methylpyridine-3-carbonyl chloride;
  • PSA 29.96000
  • LogP 2.78780

2-Methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride Specification

This chemical is called 3-Pyridinecarbonyl chloride, 2-methyl-6-(trifluoromethyl)-, and its systematic name is  2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride. With the molecular formula of C8H5ClF3NO, its molecular weight is 223.58. The CAS registry number of this chemical is 261635-98-7.

Other characteristics of the 3-Pyridinecarbonyl chloride, 2-methyl-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.22; (6)ACD/BCF (pH 7.4): 25.22; (7)ACD/KOC (pH 5.5): 350.76; (8)ACD/KOC (pH 7.4): 350.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 44.39 cm3; (15)Molar Volume: 158.8 cm3; (16)Polarizability: 17.59×10-24cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 89.3 °C; (20)Enthalpy of Vaporization: 46.06 kJ/mol; (21)Boiling Point: 224.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0929 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cl)c1ccc(nc1C)C(F)(F)F
2.InChI: InChI=1/C8H5ClF3NO/c1-4-5(7(9)14)2-3-6(13-4)8(10,11)12/h2-3H,1H3
3.InChIKey: NXGBKYDPTQMSFS-UHFFFAOYAI

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